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Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
Lasiodiplodin
292.40
4.7
1
4
55.76
1
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R,6S)-5-ethyl-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
430.70
8.1
2
2
40.46
7
Olitoriusin
858.90
-3.4
10
19
301.05
10
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
858.90
-3.4
10
19
301.05
10
17-acetyl-17-hydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
330.50
2.9
1
3
54.37
1
[17-acetyloxy-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] 2-methylprop-2-enoate
700.80
5.7
1
10
130.73
10
[(1R,3aR,5aR,5bS,7aS,9S,11aS,11bS,13aR,13bR)-11b-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-6-oxo-1-prop-1-en-2-yl-1,2,3,4,5,7,7a,9,10,11,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
618.80
8.7
3
6
104.06
5
(1R,3aR,5aR,5bS,7aS,9S,11aS,11bS,13aR,13bR)-9,11b-dihydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,7,7a,9,10,11,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-6-one
456.70
6.8
2
3
57.53
1
[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-1-oxo-3-propan-2-yl-3a,4,5,8-tetrahydro-2H-azulen-4-yl] 4-hydroxybenzoate
372.50
3.2
2
5
83.83
4
[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 1,3-benzodioxole-5-carboxylate
386.50
4.7
1
5
64.99
4
[(1R,3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-1-[(Z)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 3,4-dihydroxybenzoate
472.60
4.9
3
7
113.29
7
7-[(5,7b-dimethyl-2,3,6,7-tetrahydro-1aH-naphtho[1,2-b]oxiren-4-yl)methoxy]-6,8-dimethoxychromen-2-one
410.50
2.2
0
6
70.43
5
(3S,4R,6S,7S,11S,12R)-7,11-dibromo-6-chloro-7,10,10-trimethyl-2-oxadispiro[2.0.54.43]tridecan-12-ol
430.60
3.9
1
2
32.76
0
[(3R,3aR,4S,9bS)-3,6,9-trimethyl-2-oxo-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-4-yl] acetate
288.34
1.6
0
4
52.6
2
Strongylophorine-3
412.60
6.3
2
4
66.76
1
(1S,2S,5S,7S,9S,10R,13R,14S)-5,10,14-trimethylspiro[6,16-dioxapentacyclo[12.3.3.01,13.02,10.05,9]icosane-7,5'-cyclohex-2-ene]-1',4',15-trione
426.50
3.8
0
5
69.67
0
(1S,2S,5S,7R,9S,10R,13R,14S)-5,10,14-trimethylspiro[6,16-dioxapentacyclo[12.3.3.01,13.02,10.05,9]icosane-7,5'-cyclohex-2-ene]-1',4',15-trione
426.50
3.8
0
5
69.67
0
Strongylophorine-8
428.60
4.9
3
5
86.99
2
(3R,5aR,5bR,7aS,11aS,11bR,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene
410.70
10.5
0
0
0
1
(3R,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene
410.70
10.5
0
0
0
1
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
959.10
1.3
12
19
315.21
11
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1075.20
1
13
22
353.9
12
Ilexoside XLVIII
811.00
3.1
9
15
253.13
8
CID 14564502
1237.40
-1.9
16
27
433.05
15
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1221.40
-0.7
15
26
412.82
14
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